1-methyl-5-nitro-2-(5-nitrofuran-2-yl)imidazole

C8H6N4O5 — CID 14469464

IUPAC1-methyl-5-nitro-2-(5-nitrofuran-2-yl)imidazole
SMILESCn1c([N+](=O)[O-])cnc1-c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C8H6N4O5/c1-10-6(11(13)14)4-9-8(10)5-2-3-7(17-5)12(15)16/h2-4H,1H3
InChIKeyLMZYRFUWOSQXML-UHFFFAOYSA-N
MW238.16 g/mol
LogP1.50
Rot. Bonds3

About 1-methyl-5-nitro-2-(5-nitrofuran-2-yl)imidazole

1-methyl-5-nitro-2-(5-nitrofuran-2-yl)imidazole (PubChem CID 14469464) has the molecular formula C8H6N4O5 and a molecular weight of 238.16 g/mol. Its IUPAC name is 1-methyl-5-nitro-2-(5-nitrofuran-2-yl)imidazole.

Molecular Properties

Compound Name1-methyl-5-nitro-2-(5-nitrofuran-2-yl)imidazole
PubChem CID14469464
Molecular FormulaC8H6N4O5
Molecular Weight238.16 g/mol
Exact Mass238.03
IUPAC Name1-methyl-5-nitro-2-(5-nitrofuran-2-yl)imidazole
SMILESCn1c([N+](=O)[O-])cnc1-c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C8H6N4O5/c1-10-6(11(13)14)4-9-8(10)5-2-3-7(17-5)12(15)16/h2-4H,1H3
InChIKeyLMZYRFUWOSQXML-UHFFFAOYSA-N
XLogP1.50
TPSA117.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-(4-methylsulfonylphenyl)-5-nitroimidazole
CID 22998231
2,6-bis(1-methyl-5-nitroimidazol-2-yl)pyridine;vanadium;trichloride
CID 173244562
2-(iodomethyl)-1-methyl-5-nitroimidazole
CID 54503644
methyl 4-(1-methyl-5-nitroimidazol-2-yl)benzoate
CID 23275075
3-ethylsulfanyl-4-methyl-5-(1-methyl-5-nitroimidazol-2-yl)-1,2,4-triazole
CID 11807684
5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-amine
CID 29698
3-(1-methyl-5-nitroimidazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 21455952
1-(deuteriomethyl)-2-methyl-5-nitroimidazole
CID 169225400
4-methyl-2-(5-nitrofuran-2-yl)-1,3-thiazole
CID 23996777
2-chloro-3-(5-nitrofuran-2-yl)pyridine
CID 165356727
N-ethyl-1-[5-(5-nitrofuran-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181239
7-chloro-2-(1-methyl-5-nitroimidazol-2-yl)quinoline
CID 10379387

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-nitro-2-(5-nitrofuran-2-yl)imidazole?
The IUPAC name of 1-methyl-5-nitro-2-(5-nitrofuran-2-yl)imidazole (CID 14469464) is 1-methyl-5-nitro-2-(5-nitrofuran-2-yl)imidazole.
What is the SMILES notation for 1-methyl-5-nitro-2-(5-nitrofuran-2-yl)imidazole?
The canonical SMILES for 1-methyl-5-nitro-2-(5-nitrofuran-2-yl)imidazole is Cn1c([N+](=O)[O-])cnc1-c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 1-methyl-5-nitro-2-(5-nitrofuran-2-yl)imidazole?
The InChIKey is LMZYRFUWOSQXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O5/c1-10-6(11(13)14)4-9-8(10)5-2-3-7(17-5)12(15)16/h2-4H,1H3.
What are the key properties of 1-methyl-5-nitro-2-(5-nitrofuran-2-yl)imidazole?
1-methyl-5-nitro-2-(5-nitrofuran-2-yl)imidazole has a molecular weight of 238.16 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-nitro-2-(5-nitrofuran-2-yl)imidazole is sourced from PubChem (CID 14469464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).